[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-propan-2-ylquinoline-4-carboxylate Openeye Name: [2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl] 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid [2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid [2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl] ester Formula: C27H28FN3O4 MolecularWeight: 477.527323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(=O)C)F

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(=O)C)F

InChI

InChI=1S/C27H28FN3O4/c1-17(2)24-15-21(20-6-4-5-7-23(20)29-24)27(34)35-16-26(33)31-12-10-30(11-13-31)25-9-8-19(18(3)32)14-22(25)28/h4-9,14-15,17H,10-13,16H2,1-3H3